CID 2947371

N-(3-bromophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C19H19BrN2O2
SMILES
CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)Br)C
InChI
InChI=1S/C19H19BrN2O2/c1-12-6-7-17(8-13(12)2)22-11-14(9-18(22)23)19(24)21-16-5-3-4-15(20)10-16/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)
InChIKey
LWMSPFVXMKVZKT-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07028 185.0
[M+Na]+ 409.05222 194.9
[M-H]- 385.05572 195.9
[M+NH4]+ 404.09682 200.7
[M+K]+ 425.02616 182.3
[M+H-H2O]+ 369.06026 182.5
[M+HCOO]- 431.06120 203.9
[M+CH3COO]- 445.07685 217.5
[M+Na-2H]- 407.03767 184.9
[M]+ 386.06245 202.3
[M]- 386.06355 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.